SCHEMBL15957699

SCHEMBL15957699

Cc1cc(C(=O)O)c(C(C)(O)C(F)(F)F)cc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.39
ASPH Q12797 1/20 0.38
RXRB P28702 2/20 0.37
RXRA P19793 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.37
DAO P14920 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 2/20 0.36
TAS2R14 Q9NYV8 2/20 0.35
MCL1 Q07820 1/20 0.34
SORT1 Q99523 1/20 0.34
HSP90AA1 P07900 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13199122 0.84 NOTUM (0.40) NOTUMASPHRXRBRXRAKDM4E
SCHEMBL15957658 0.80 AR (0.44) ALDH1A1ARHSP90AA1
SCHEMBL12126505 0.76 PDK2 (0.43) RXRBRXRAKDM4EMEN1KMT2A
SCHEMBL15957875 0.75 RXRB (0.41) NOTUMASPHRXRBRXRAKDM4E
SCHEMBL15957698 0.75 NOTUM (0.39) NOTUMASPHRXRBRXRAKDM4E
SCHEMBL15957688 0.74 AR (0.53) NOTUMRXRBRXRAKDM4EHPGD
SCHEMBL20934761 0.73 AR (0.40) ARHSP90AA1
SCHEMBL15957686 0.73 ALOX15 (0.41) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL15957682 0.72 TPMT (0.38) NOTUMHSD17B10ALDH1A1ARHSP90AA1
SCHEMBL15957675 0.72 SMN1; SMN2 (0.42) KDM4EALDH1A1MEN1MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 NOTUM 177/4885ASPH 1050/4885RXRB 2616/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.